7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene

C15H14O — CID 134982343

IUPAC7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CC=CC=CC1=C1C=CC=CC=C1
InChIInChI=1S/C15H14O/c1-16-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2-12H,1H3
InChIKeyNUXIBNFDDHAPHS-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.62
Rot. Bonds1

About 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene

7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene (PubChem CID 134982343) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
PubChem CID134982343
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene
SMILESCOC1=CC=CC=CC1=C1C=CC=CC=C1
InChIInChI=1S/C15H14O/c1-16-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2-12H,1H3
InChIKeyNUXIBNFDDHAPHS-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
The IUPAC name of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene (CID 134982343) is 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene.
What is the SMILES notation for 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
The canonical SMILES for 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene is COC1=CC=CC=CC1=C1C=CC=CC=C1.
What is the InChIKey of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
The InChIKey is NUXIBNFDDHAPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-16-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2-12H,1H3.
What are the key properties of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene?
7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene has a molecular weight of 210.28 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 134982343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).